[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

C13H17F3N4O — CID 106776301

IUPAC[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC1CC=CCC1COc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4O/c1-8-4-2-3-5-9(8)7-21-11-6-10(20-17)18-12(19-11)13(14,15)16/h2-3,6,8-9H,4-5,7,17H2,1H3,(H,18,19,20)
InChIKeyJYPJCVIMELOYSX-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.76
Rot. Bonds4

About [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (PubChem CID 106776301) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
PubChem CID106776301
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
SMILESCC1CC=CCC1COc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C13H17F3N4O/c1-8-4-2-3-5-9(8)7-21-11-6-10(20-17)18-12(19-11)13(14,15)16/h2-3,6,8-9H,4-5,7,17H2,1H3,(H,18,19,20)
InChIKeyJYPJCVIMELOYSX-UHFFFAOYSA-N
XLogP2.76
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine (CID 106776301) is [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is CC1CC=CCC1COc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
The InChIKey is JYPJCVIMELOYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-8-4-2-3-5-9(8)7-21-11-6-10(20-17)18-12(19-11)13(14,15)16/h2-3,6,8-9H,4-5,7,17H2,1H3,(H,18,19,20).
What are the key properties of [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine?
[6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine has a molecular weight of 302.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(6-methylcyclohex-3-en-1-yl)methoxy]-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 106776301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).